3',4'-Dimethylacetanilide - ≥98%(GC) , CAS No.2198-54-1

CAS: 2198-54-1 Cat. No.: D154873 Formula: C₁₀H₁₃NO Peso molecolare: 163.22 Beilstein Registry Number: 12(4)2507 Numero EC: 218-597-3

GRADE & PURITY ≥98%(GC)

Synonyms

3',4'-Dimethylacetanilide | 3,4-Dimethylacetanilide | N-Acetyl-3,4-xylidine | 4-12-00-02507 (Beilstein Handbook Reference) | Diammonium dichromate | 4-Acetamino-o-xylol | FT-0614363 | Chromate of potass | NSC 25232 | Acetamide, N-(3,4-dimethylphenyl)- | A

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3',4'-Dimethylacetanilide | 3,4-Dimethylacetanilide | N-Acetyl-3,4-xylidine | 4-12-00-02507 (Beilstein Handbook Reference) | Diammonium dichromate | 4-Acetamino-o-xylol | FT-0614363 | Chromate of potass | NSC 25232 | Acetamide, N-(3,4-dimethylphenyl)- | A

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488185044
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185044
• Sorrisi canonici: CC1=C(C=C(C=C1)NC(=O)C)C
• IUPAC Name: N-(3,4-dimethylphenyl)acetamide
• InChIKey: UAOIEEWQVAXCFY-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)
• Isomeri SMILES: CC1=C(C=C(C=C1)NC(=O)C)C
• RTECS: AN7500000
• Peso molecolare: 163.22
• Beilstein: 12(4)2507
• Reaxy-Rn: 387706
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387706&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines o-Xylenes Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - O-xylene - Xylene - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Punto di fusione (°C): 96-98°C
• Peso molecolare: 163.220 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.1 Da
• Monoisotopic Mass: 163.1 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1